MolNFT v1 · #116029 · protein

Crystal structure of mycobacterium tuberculosis RV0302, form I

5D18 · Tetr family transcriptional regulator: “Crystal structure of mycobacterium tuberculosis RV0302, form I”. X-ray diffraction, 1 ligand (NA), 2 pockets (best druggability 0.83). MolNFT v1 #116029 on GenesisL1: 3D structure, binding…

PDB: 5D18
Type: protein
Length: 202 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Tetr family transcriptional regulator
UniProt: A0A045J2D2
Ligands: NA
Pockets: 2 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 78% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tetr family transcriptional regulator	protein	202	78% helix, 0% strand	A0A045J2D2

Ligands and binding sites

NA · Sodium ion · metal · chains A
IPA · Isopropyl alcohol · additive · chains A
EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	193	0.83	0.96	29	IPA
2	106	0.36	0.73	23	EPE, NA

Compared structures

5D18 · Crystal structure of Mycobacterium tuberculosis Rv0302, form I · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt A0A045J2D2
Elsewhere: RCSB PDB 5D18 · PDBe 5D18 · UniProt A0A045J2D2

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